Influences of P doping on magnetic phase transition and structure in MnCoSi ribbon

The structure and magnetic properties of Mn Co Si1-xPx(x = 0.05–0.50) are systematically investigated.With P content increasing,the lattice parameter a increases monotonically while both b and c decrease.At the same time,the temperature of metamagnetic transition from a low-temperature non-collinear ferromagnetic state to a high-temperature ferromagnetic state decreases and a new magnetic transition from a higher-magnetization ferromagnetic state to a lowermagnetization ferromagnetic state is observed in each of these compounds for the first time.This is explained by the changes of crystal structure and distance between Mn and Si atoms with the increase of temperature according to the hightemperature XRD result.The metamagnetic transition is found to be a second-order magnetic transition accompanied by a low inversed magnetocaloric effect(1.0 J·kg-1·K-1at 5 T) with a large temperature span(190 K at 5 T) compared with the scenario of Mn Co Si.The changes in the order of metamagnetic transition and structure make P-doped Mo Co Si compounds good candidates for the study of magnetoelastic coupling and the modulation of magnetic phase transition.     

Spin-Polarized Tunnelling Magnetoresistance Effects in La0.833K0.167MnO3／SrTiO3 Polycrystalline Perovskite Manganites

A sample of La0.833K0.167MnO3-SrTiO3 (LKMO/STO) is fabricated by the sol-gel method. The microstructure,magnetic and transportation properties have been studied. X-ray diffraction patterns indicate that the structure of LKMO/STO is a homogeneous solid solution phase. The resistivity of LKMO/STO shows the insulator behaviour, which is different from La0.833K0.167MnO3 (LKMO) whose resistivity shows metal-insulator transition with decreasing temperature. The low-field (moH = 0.02 T) magnetoresistance decreases from 11% to 0.2% with the increasing temperature from 4 K‘to 220K for the LKMO/STO sample. The magnitude of magnetoresistance in a strong field (μoH = 5.5 T) almost increases linearly with decreasing temperature and reaches the maximum of 65% at the low temperature of 4.2K, which is much higher than that oE LKMO (40%). The enhanced low-field magnetoresistance effects are quantitatively explained by the spin-polarized tunnelling at grain boundaries.     

Giant magnetocaloric effect in the Gd5Ge2.025Si1.925In0.05 compound

The magnetocaloric properties of the Gd 5 Ge 2.025 Si 1.925 In 0.05 compound have been studied by x-ray diffraction,magnetic and heat capacity measurements.Powder x-ray diffraction measurement shows that the compound has a dominant phase of monoclinic Gd5Ge2Si2-type structure and a small quantity of Gd 5(Ge,Si) 3-type phase at room temperature.At about 270 K,this compound shows a first order phase transition.The isothermal magnetic entropy change(△SM) is calculated from the temperature and magnetic field dependences of the magnetization and the temperature dependence of MCE in terms of adiabatic temperature change(△Tad) is calculated from the isothermal magnetic entropy change and the temperature variation in zero-field heat-capacity data.The maximum S M is 13.6 J·kg-1·K-1 and maximum △Tad is 13 K for the magnetic field change of 0-5 T.The Debye temperature(θD) of this compound is 149 K and the value of DOS at the Fermi level is 1.6 states/eV·atom from the low temperature zero-field heat-capacity data.A considerable isothermal magnetic entropy change and adiabatic temperature change under a field change of 0-5 T jointly make the Gd5Ge2.025Si1.925 In 0.05 compound an attractive candidate for a magnetic refrigerant.     

Phase transition and thermodynamic properties of ThO2：Quasi-harmonic approximation calculations and anharmonic effects

The thermodynamic properties and the phase transition of ThO2 from the cubic structure to the orthorhombic structure are investigated using the first-principles projector-augmented wave method. The vibrational contribution to Helmholtz free energy is evaluated from the first-principles phonon calculations. The anharmonic contribution to quasi-harmonic free energy is accounted for by using an effective method(2010 Phys. Rev. B 81 172301). The results reveal that at ambient temperature, the phase transition from the cubic phase to the orthorhombic phase occurs at 26.45 GPa, which is consistent with the experimental and theoretical data. With increasing temperature, the transition pressure decreases almost linearly. By comparing the experimental results with the calculation results, it is shown that the thermodynamic properties of ThO2 at high temperature improve substantially after including the anharmonic correction to quasi-harmonic free energy.     

Coexistence of positive and negative magnetic entropy changes in CeMn_2(Si_(1-x)Ge_x)_2 compounds

A series of CeMn2(Si1-xGex)2(x = 0.2, 0.4, 0.6, 0.8) compounds are prepared by the arc-melting method. All the samples primarily crystallize in the Th Cr2Si2-type structure. The temperature dependences of zero-field-cooled(ZFC) and FC magnetization measurements show a transition from antiferromagnetic(AFM) state to ferromagnetic(FM) state at room temperature with the increase of the Ge concentration. For x = 0.4, the sample exhibits two kinds of phase transitions with increasing temperature: from AFM to FM and from FM to paramagnetic(PM) at around TN~197 K and T C~300 K,respectively. The corresponding Arrott curves indicate that the AFM–FM transition is of first-order character and the FM–PM transition is of second-order character. Meanwhile, the coexistence of positive and negative magnetic entropy changes can be observed, which are corresponding to the AFM–FM and FM–PM transitions, respectively.     

Low thermal expansion and broad band photoluminescence of Zr0.1Al1.9Mo2.9V0.1O12

A new material of Zr0.1Al1.9Mo2.9V0.1O12 is synthesized by the traditional solid state synthesis method.The phase transition,coefficient of thermal expansion,and luminescence properties of Zr0.1Al1.9Mo2.9V0.1O12 are explored with Raman spectrometer,dilatometer,and x-ray diffraction(XRD)diffractometer.The results show that the Zr0.1Al1.9Mo2.9V0.1O12 possesses the strong broad-band luminescence characteristics almost in the whole visible region.The sample is crystallized in a monoclinic structure group of P21/a(No.14)crystallized at room temperature(RT).The crystal is changed from monoclinic to orthorhombic structure when the temperature increases to 463 K.The material has very low thermal expansion performance in a wide temperature range.Its excellent low thermal expansion and strong pale green light properties in a wide temperature range suggest its potential applications in light-emitting diode(LED)and other optoelectronic devices.     

Phase Transition of Graphitic-C3N4 under High Pressure by In Situ Resistance Measurement in a Diamond Anvil Cell

In situ resistance measurement of Graphitic-C3N4 has been performed under high pressure in a diamond anvil cell. The result reveals that there are changes of electron transport behaviour. As the pressure increases from ambient to 30 GPa, three abnormal resistance changes can be found at room temperature and two are found at 77K. The abnormal resistance dropped at 5 GPa is close to the phase transition pressure from the P6m2 structure to the p structure predicted by Lowther et al. [Phys. Reg. B 59 (1999) 11683] Another abnormal change of resistance at 12 GPa is related to the phase transition from g-C3N4 to cubic-C3N4 [Teter and Hemley, Science 271 (1990) 53].     

Low temperature Pmmm and C2/m phases in Sr_2CuO_(3+δ) high temperature superconductor

A new low temperature Pmmm(120 K) phase was found in high temperature superconductor Sr_2 CuO_(3+δ), which was indicated as a pure electronic phase by resonant x-ray diffraction at Cu K-edge. As shown by x-ray absorption fine structure(EXAFS) and x-ray absorption near edge structure(XANES) at Cu K-edge, the strong charge density redistribution and local lattice fluctuations around Cu site at the onset of phase transition were due to the occurrence of superconductive coherence, the redistribution and fluctuation finished at Tc. Finally, the electron–lattice interaction was mainly elaborated to understand the superconductivity of Sr_2 CuO_(3+δ).     

Anisotropic Magnetoresistivity in Semimetal TaSb_2

We investigate the anisotropic magnetic transports in topological semimetal TaSb2. The compound shows the large magnetoresistance(MR) without saturation and the metal-insulator-like transition no matter whether the magnetic field is parallel to c-axis or a-axis, except that the MR for B‖c is almost twice as large as that of B‖a at low temperatures. The adopted Kohler's rule can be obeyed by the MR at distinct temperatures for B‖c,but it is slightly violated as B‖a. The angle-dependent MR measurements exhibit the two-fold rotational symmetry below70 K,consistent with the monoclinic crystal structure of TaSb2. The dumbbell-like picture of angle-dependent MR in TaSb2 suggests a strongly anisotropic Fermi surface at low temperatures. However, it finally loses the two-fold symmetry over 70 K, implying a possible topological phase transition at around the temperature where Tm is related to a metal-insulator-like transition under magnetic fields.     

Structure, dielectric and magnetodielectric properties of Bi1-xGdxFeO3 Ceramics

Different magnetodielectric effects were observed in Bi1-xGdxFeO3 ceramics depending on gadolinium content. A positive one was observed in the samples with x ≤0.10 at 295K and 16K, and a negative one in the sample with x = 0.4 at 16 K. Structure analysis by x-ray diffraction (XRD) reveals that the samples crystallize in the R3c structure (ferroelectrics) for x<0.08 and in the Pbnm structure (paraelectrics) for x≥0.3 at room temperature. Temperature-dependent dielectric response and x-ray diffraction confirm the occurrence of a structural transition in the Pbnm phase at low temperature for the samples with x ≤0.4. While the positive magnetodielectric effects can be attributed to a coupling of magnetic and crystallographic structures of the R3c phase, the observed negative magnetodielectric effect in the Pbnm phase can be associated with a low-temperature modification of the Pbnm structure. The observed dualsigned magnetodielectric effects suggest that the Bi1-xGdxFeO3 oxides are a good prototype for understanding the magnetodielectric coupling mechanism in this kind of materials.     

Martensitic transformation and giant magnetic entropy change in Ni_(42.8)Mn_(40.3)Co_(5.7)Sn_(11.2) alloy

The crystal structure, phase transition, and magnetocaloric effect in Ni42.8Mn40.3Co5.7Sn11.2 alloy are investigated by structure analysis and magnetic measurements. A large magnetic entropy change of 45.6 J/kg.K is obtained at 215 K under a magnetic field of 30 kOe （1 Oe = 79.5775 A.m-1）. The effective refrigerant capacity of Ni42.8Mn40.3Co5.7Sn11.2 alloy reaches 72.1 J/kg under an applied field changing from 0 to 30 kOe. The external magnetic field shifts the martensitic transition temperature about 3-4 K/10 kOe towards low temperature, indicating that magnetic field can retard the phase transition to a certain extent. The origin of large magnetic entropy change is discussed in the paper.     

Phase transition and thermal expansion property of Cr_(2-x)Zr_(0.5x)Mg_(0.5x)Mo_3O_(12) solid solution

Compounds with the formula Cr2-xZr0.5xMg0.5xMo3O12（x = 0.0, 0.3, 0.5, 0.9, 1.3, 1.5, 1.7, 1.9） are synthesized, and the effects of Zr4＋ and Mg2＋ co-incorporation on the phase transition, thermal expansion, and Raman mode are investigated. It is found that Cr2-xZr0.5xMg0.5xMo3O12 crystallize into monoclinic structures for x 〈 1.3 and orthorhombic structures for x _〉 1.5 at room temperature. The phase transition temperature from a monoclinic to an orthorhombic structure of Cr2Mo3O12 can be reduced by the partial substitution of （ZrMg）6＋ for Cr3＋. The overall linear thermal expansion coefficient decreases with the increase of the （ZrMg）6＋ content in an orthorhombic structure sample. The co-incorporation of Zr4＋ and Mg2＋ in the lattice results in the occurrence of new Raman modes and the hardening of the symmetric vibrational modes, which are attributed to the MoO4 tetrahedra sharing comers with ZrO6/MgO6 octahedra and to the strengthening of Mo-O bonds due to less electronegativities of Zr4＋ and Mg2＋ than Cr3＋, respectively.     

Structural, elastic, phonon and electronic properties of a MnPd alloy

The structural, elastic, phonon and electronic properties of a MnPd alloy have been investigated using the first-principles calculation. The calculated lattice constants and electronic structure agree well with the experimental results. The microscopic mechanism of the diffusionless martensitic transition from the paramagnetic B2 (PM-B2) phase to the antiferromagnetic L10 (AFM-L10) phase through the intermediate paramagnetic L10 (PM-L10 ) phase has been explored theoretically. The obtained negative shear modulus C′= (C11-C12)/2 of the PM-B2 phase is closely related to the instability of the cubic B2 phase with respect to the tetragonal distortions. The calculated phonon dispersions for the PM-L10 and AFM-L10 phases indicate that they are dynamically stable. However, the AFM-L10 phase is energetically most favorable according to the calculated total energy order, so the PM-L10 →AFM-L10 transition is caused by the magnetism rather than the electron-phonon interaction. Additionally, the AFM-L10 state is stabilized through the formation of a pseudo gap located at the Fermi level. The calculated results show that the CuAu-I type structure in the collinear antiferromagnetic state is dynamically and mechanically stable, thus is the low temperature phase.     

Temperature-dependent dielectric properties of Au/Si_3N_4/n-Si (metal insulator semiconductor) structures

The dielectric properties of Au/Si3N4/n-Si(MIS)structures are studied using the admittance measurements(C–V and G/ω–V)each as a function of temperature in a range from 80 K to 400 K for two frequencies(100 kHz and 1 MHz).Experimental results show that both the dielectric constant(ε)and the dielectric loss(ε)increase with temperature increasing and decrease with frequency increasing.The measurements also show that the ac conductivity(σac)increases with temperature and frequency increasing.The lnσacversus 1000/T plot shows two linear regions with different slopes which correspond to low(120 K–240 K)and high(280 K–400 K)temperature ranges for the two frequencies.It is found that activation energy increases with frequency and temperature increasing.     

Dielectric and Pyroelectric Properties of （Pb0.50Sr0.50）TiO3 Ceramics

Lead strontium titanate （Pb0.50Sr0.50）TiO3 （PST） ceramics are prepared by the traditional ceramic processing. The dielectric constants and dielectric loss have been investigated in a temperature range from 25℃ to 300℃. The maximum dielectric constants for unpoled and poled samples are 9924 and 9683, respectively. The temperatures of phase transition for unpoled and poled samples are observed at 153℃ and 157℃, respectively. The phasetransition temperatures for unpoled and poled samples are not equal, which results from the polarization state of the domains. The remnant polarization and the coercive electric field are 18 uC/cm^2 and 6 kV/cm, respectively, from polarization-electric field （P - E） hysteresis loop. The temperature dependence of pyroelectric coefficients of the PST ceramics is measured by a dynamic technique. The dielectric constant and loss Lan δ of the poled PST ceramics are 813 and 0.010, respectively. The pyroelectric coefficients and figure of merit are 294 uC/cm^2 K and 13.6 × 10^-6 pa^-0.5, respectively, at room temperature 25℃and frequency lOOHz.     

Field-Induced Domain Reorientation and Polarization Rotation of <110> Oriented Pb(Mg1/3Nb2/3)O3-PbTiO3 Single Crystals

Polarization hysteresis loops, x-ray diffraction and temperature dependent dielectric constant under different electric fields for <110> oriented 0.7PMN-0.3PT crystals are measured. The field-induced phase transition and the process of depolarization are discussed. The results show that with the electric field E increasing, the single-crystal form changes from the relaxor state of rhombohedral to normal rhombohedral, then to a monoclinic state via polar-axis reorientation and polarization rotation. Orthorhombic phase may present when E≥10kV, but it is an unstable form after E removal. The depolarization process is not just the reversal of the polarization process. It is noticed that only the temperature-dependent dielectric behaviour is not enough to judge the processes of the E-field induced phase transition.     

The Phase Transition of Eu2O3 under High Pressures

Pressure-induced phase transition of cubic Eu2 03 is studied by angle-dispersive x-ray diffraction （ADXD） up to 42.3 GPa at room temperature. A structural transformation from a cubic phase to a hexagonal phase is observed, which starts at 5.0 GPa and finishes at about 13.1 GPa. The phase transition leads to a volume collapse of 9.0% at 8.6 GPa. The hexagonal phase of Eu2 03 maintains stable up to the highest experiment pressure. After re/ease of pressure, the high-pressure phase transforms to a monoclinic phase. The pressure-volume data are fitted with the Birch-Murnaghan equation of state. The bulk moduli obtained upon compression from the fitting are 145（2） GPa and 151（6） OPa for the cubic and hexagonal phases, respectively, when their first pressure derivatives are fixed at 4.     

Phase Transition and Thermodynamics of Ruthenium Diboride via First-Principles Calculations

The pressure induced phase transitions of RuB2 from the OsB2-type structure to the ReB2-type structure are investigated by first-principles calculations based on the plane-wave basis set with the generalized gradient ap- proximation for exchange and correlation. It is found that the phase transition occurs at 18.6 GPa. We predict the phase transition from the OsB2-type RuB2 to the ReB2-type RuB2 at high temperatures for the first time. The dependences of the heat capacity, thermal expansion coefficient, and the Grüneisen parameter on pressure and temperature for OsB2-type RuB2 and ReB2-type RuB2 are also investigated.     

Phase transition and thermodynamic properties of BiFeO3 from first-principles calculations

The first-principles projector-augmented wave method employing the quasi-harmonic Debye model,is applied to investigate the thermodynamic properties and the phase transition between the trigonal R3c structure and the orthorhombic Pnma structure.It is found that at ambient temperature,the phase transition from the trigonal R3c phase to the orthorhombic Pnma phase is a first-order antiferromagnetic-nonmagnetic and insulator-metal transition,and occurs at 10.56 GPa,which is in good agreement with experimental data.With increasing temperature,the transition pressure decreases almost linearly.Moreover,the thermodynamic properties including Grneisen parameter,heat capacity,entropy,and the dependences of thermal expansion coefficient on temperature and pressure are also obtained.     

Magnetic properties and magnetocaloric effects in amorphous and crystalline Gd55Co35Ni10 ribbons

The magnetic properties and magnetocaloric effects of amorphous and crystalline Gd55Co35Ni10 ribbons are investigated.A main phase with a Ho 12 Co 7-type monoclinic structure(space group P21/c) and a minor phase with a Ho4Co3-type hexagonal structure(space group P63/m) are obtained for crystalline ribbon after annealing.The amorphous ribbons order ferromagnetically and undergo a second-order transition at 192 K.For crystalline Gd55Co35Ni10 ribbons,two magnetic phase transitions occur at 158 and 214 K,respectively.The peak value of-△SM under a field change of 0-5 T is 6.5 J/kg K at 192 K for amorphous Gd55Co35Ni10 ribbons.A relatively large magnetic entropy change(～5.0 J/kg K) under a field change of 0-5 T for the crystalline Gd55Co35Ni10 ribbons is obtained in the temperature interval range of 154-214 K.The large platform of magnetic entropy change and the negligible thermal/magnetic hysteresis loss mean the crystalline Gd55Co35Ni10 compound can satisfy the requirement of the Ericsson-type refrigerator working in the temperature range from 154K to 214K.